3-Thiophenecarboxylic acid, 2-bromo-, ethyl ester


Chemical Name: 3-Thiophenecarboxylic acid, 2-bromo-, ethyl ester
CAS Number: 632325-50-9
Product Number: AG0039R0(AGN-PC-0085N4)
Synonyms:
MDL No:
Molecular Formula: C7H7BrO2S
Molecular Weight: 235.0983

Identification/Properties


Computed Properties
Molecular Weight:
235.095g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
233.935g/mol
Monoisotopic Mass:
233.935g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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